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Stephen was awarded the prestigious 2020 Barry Goldwater Scholarship! Congratulations!






Kareesa won “Best Graduate Poster” and a cash prize at the 14th Annual Mork Family Depart Research Symposium for her work exploring the kinetics of CO2 reduction via organic photoredox catalysts!



StephenNick in front of poster



On March 3, several group members presented at the 14th Annual Mork Family Department Research Symposium. Zhenzhuo gave a talk on her research into linear free energy relationships for catalyst design. Nick, Kareesa, Stephen, and Jacob presented posters describing their research and had lots of interesting conversations with faculty and fellow students!


Group Picnic Photo


On November 23rd, the group gathered at Shoreline Aquatic Park in Long Beach with friends for a picnic to celebrate previous work. Not only was there lots of tasty food and fun music, but Dr. Sharada’s parents also joined us in the nice weather!


Sept 2019: We welcome Pranesh to the group!

Aug 2019: Shaama presents an overview of limitations of DFT in transition metal catalysis at the ACS Symposium on exploring transition metal chem and spectroscopy with quantum chemistry in San Diego CA

Aug 2019: We welcome Selin to the group!

Aug 2019: Zhenzhuo presented her work at the Pacific Coast Catalysis Society meeting and at SUNCAT Summer School

July 2019: Samantha presented her summer work at the YRP Summer Research Symposium

June 2019: Shaama presented group’s work on inverted Hammett analysis at the NAM meeting in Chicago

June 2019: We received 1,234,634.0 SUs from NSF’s XSEDE for studying the dynamic behavior of atomically dispersed catalysts (July 2019 – June 2020)

June 2019: We welcome Allyson to the group for the summer through Viterbi’s SURE program! We also welcome Samantha to the group for the summer through the Young Researchers Program!

May 2019: We welcome Vijey to the group for the summer through Viterbi’s IUSSTF program!

April 2019: We receive 1-year support from USC’s Undergraduate Research Associates Program for ligand-driven design of copper-oxo complexes

April 2019: We receive 1-year funding (July 2019 – Jun 2020) from USC’s Zumberge Fund Individual Grant Program for carrying out active site dynamics in atomically dispersed catalysts

April 2019: We welcome Yichen and Yujia to the group!

April 2019: Shaama presents mechanistic research on CH activation at the ACS Spring Meeting in Orlando, FL

March 2019: Shaama receives Supplemental Faculty Support from WiSE

Jan 2019: Jacob is awarded the USC Provost’s Undergraduate Research Fellowship

Oct 2018: We welcome Stephen to the group!

Oct 2018: Shaama speaks to high schools students in the Saturday Academy (by Neighborhood Academic Initiative) about supercomputing in chemistry

Sep 2018: The group’s first paper is accepted at Physical Chemistry Chemical Physics as a 2018 HOT article!! Congrats, Zhenzhuo! Read the paper on using barrier responses to probe CH activation mechanisms in enzyme-inspired catalysts here

Jul 2018: Shaama leads a discussion and presents the group’s work on dicopper kinetics and leads a discussion at the Gordon Research Conference on Computational Chemistry in Mt. Snow, VT

Jul 2018: Shaama speaks to high school SHINE students about the joys of computational research!

Jul 2018: We welcome Kareesa and Nick to the group!

May 2018: Shaama presents a poster on single atom catalyst design work at the 2018 AFOSR Molecular Dynamics/Theoretical Chemistry program review in Albuquerque, NM

May 2018: Shaama presents CH activation work at the Third Annual Theoretical Chemistry Conference at Caltech

Apr 2018: We are growing! Nicholas and Kareesa will be joining the PhD program in Fall 2018. We also welcome Bipeng to the group

Mar 2018: First talk from the group! Shaama presents mechanistic research on CH activation at the ACS Spring Meeting in New Orleans, LA

Jan 2018: We welcome Jacob to the group!

Jan 2018: Shaama’s postdoctoral work on nontraditional routes for electrochemical ammonia synthesis is published in PCCP

Dec 2017: We have our own compute nodes on USC HPC!

Dec 2017: Shaama receives Supplemental Faculty Support from WiSE

Nov 2017: We welcome Tanya, Sathvika, and Miranda to the group!

Nov 2017: Shaama is a panelist on the WiSE Career panel, and shares her experience on preparing for academic jobs

Nov 2017: Shaama shares her research with USC’s Department of Chemistry at the Super-theory Seminar hosted by the Krylov group

Oct 2017: Shaama presents her recent work on DFT benchmarking for surface chemistry at the AIChE Annual Meeting in Minneapolis

Oct 2017: Shaama receives travel support from the Jr Faculty Professional Development Fund

Oct 2017: Shaama interacts with high school chemistry students about differences between physical and chemical changes as part of USC’s Neighborhood Academic Initiative (NAI)

Sep 2017: We welcome Joe to the group!

Sep 2017: Shaama’s postdoctoral work on benchmarking functionals for surface chemistry is ACS Editor’s Choice in JPCC

Aug 2017: We are excited to host Prof. Philippe Sautet (UCLA) as the first speaker in the 2017-18 Distinguished Lecture Series

Aug 2017: We welcome the first member, Zhenzhuo! She receives the 2-year Graduate Fellowship

Jul 2017: Shaama attends the ASEE Summer School for early-career ChemE faculty and presents a poster on peer review in the  classroom